CID 271647

7-hydroxy-4-methyl-2h-naphtho(1,2-b)pyran-2-one

Structural Information

Molecular Formula

C₁₄H₁₀O₃

SMILES

CC1=CC(=O)OC2=C1C=CC3=C2C=CC=C3O

InChI

InChI=1S/C14H10O3/c1-8-7-13(16)17-14-9(8)5-6-10-11(14)3-2-4-12(10)15/h2-7,15H,1H3

InChIKey

ICQJMFFQTDQTNL-UHFFFAOYSA-N

Compound name

7-hydroxy-4-methylbenzo[h]chromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 226.06299 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	227.070266	143.8
[M+Na]+	249.052208	156.5
[M-H]-	225.055714	150.3
[M+NH4]+	244.096813	163.0
[M+K]+	265.026148	153.2
[M+H-H2O]+	209.060250	137.6
[M+HCOO]-	271.061191	166.2
[M+CH3COO]-	285.076841	158.5
[M+Na-2H]-	247.037656	154.2
[M]+	226.06244142	148.5
[M]-	226.06353858	148.5

Literature stripe

literature stripe

Patent stripe

patents stripe